(4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol

C15H11FN2OS — CID 46942575

IUPAC(4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol
SMILESOC(c1ccc(F)cc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C15H11FN2OS/c16-12-3-1-11(2-4-12)14(19)15-18-13(9-20-15)10-5-7-17-8-6-10/h1-9,14,19H
InChIKeyFONPTNGIRQQSOJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.43
Rot. Bonds3

About (4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol

(4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol (PubChem CID 46942575) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol
PubChem CID46942575
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name(4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol
SMILESOC(c1ccc(F)cc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C15H11FN2OS/c16-12-3-1-11(2-4-12)14(19)15-18-13(9-20-15)10-5-7-17-8-6-10/h1-9,14,19H
InChIKeyFONPTNGIRQQSOJ-UHFFFAOYSA-N
XLogP3.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol (CID 46942575) is (4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol is OC(c1ccc(F)cc1)c1nc(-c2ccncc2)cs1.
What is the InChIKey of (4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol?
The InChIKey is FONPTNGIRQQSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-12-3-1-11(2-4-12)14(19)15-18-13(9-20-15)10-5-7-17-8-6-10/h1-9,14,19H.
What are the key properties of (4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol?
(4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol has a molecular weight of 286.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 46942575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).